==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 09-JUL-10 3AKB . COMPND 2 MOLECULE: PUTATIVE CALCIUM BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR X.ZHAO,H.PANG,S.WANG,W.ZHOU,K.YANG,M.BARTLAM . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 1 0 0 1 2 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A E > 0 0 154 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 113.7 27.2 -1.3 -0.1 2 6 A Y H > + 0 0 80 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.908 360.0 52.5 -65.7 -45.2 23.7 -2.2 -1.3 3 7 A E H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 108.2 50.4 -61.5 -39.8 23.5 -5.1 1.1 4 8 A R H > S+ 0 0 193 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.854 105.6 56.7 -68.3 -35.1 24.5 -2.9 4.1 5 9 A R H X S+ 0 0 80 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.945 108.8 47.3 -55.3 -49.3 21.8 -0.4 3.0 6 10 A I H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 3,-0.4 0.936 109.2 53.2 -56.9 -48.5 19.2 -3.3 3.3 7 11 A A H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.850 104.9 55.8 -57.6 -37.8 20.6 -4.3 6.7 8 12 A A H X S+ 0 0 40 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.888 108.1 47.4 -61.3 -42.3 20.1 -0.7 8.0 9 13 A R H X S+ 0 0 35 -4,-1.5 4,-1.4 -3,-0.4 -2,-0.2 0.910 111.9 50.6 -67.5 -41.6 16.4 -0.8 7.0 10 14 A F H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 3,-0.3 0.921 108.4 52.1 -58.5 -47.9 16.0 -4.2 8.7 11 15 A T H < S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.850 102.6 59.3 -57.7 -37.5 17.6 -2.9 11.9 12 16 A T H < S+ 0 0 51 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.0 37.2 -61.6 -38.5 15.3 0.1 12.0 13 17 A F H < S+ 0 0 11 -4,-1.4 2,-2.2 -3,-0.3 -2,-0.2 0.861 104.9 70.2 -80.3 -35.8 12.3 -2.3 12.1 14 18 A D >< + 0 0 7 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 -0.444 64.2 168.1 -82.9 69.7 14.1 -4.9 14.4 15 19 A Q T 3 S+ 0 0 60 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.780 72.5 46.3 -58.6 -34.9 14.0 -2.6 17.4 16 20 A D T 3 S- 0 0 87 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.471 104.0-130.3 -91.3 -0.4 15.0 -5.3 19.9 17 21 A G < + 0 0 57 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.580 65.9 130.0 73.6 12.6 17.8 -6.6 17.7 18 22 A N S S- 0 0 78 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.347 78.9-103.8 -91.2 9.7 16.9 -10.2 17.8 19 23 A G S S+ 0 0 20 -5,-0.2 55,-1.0 1,-0.1 2,-0.3 0.407 93.5 68.7 91.6 -2.0 17.0 -10.9 14.1 20 24 A H E S-A 73 0A 48 53,-0.2 2,-0.5 54,-0.1 -2,-0.3 -0.992 77.1-120.0-143.7 152.4 13.3 -11.0 13.3 21 25 A I E +A 72 0A 0 51,-2.8 51,-2.6 -2,-0.3 2,-0.3 -0.825 36.2 172.3 -96.1 125.9 10.6 -8.4 13.2 22 26 A D >> - 0 0 29 -2,-0.5 3,-1.1 49,-0.2 4,-1.0 -0.810 50.2-105.2-120.1 165.2 7.6 -9.0 15.5 23 27 A R H >> S+ 0 0 145 47,-0.5 4,-2.3 -2,-0.3 3,-0.6 0.881 121.0 64.6 -55.7 -35.2 4.6 -6.9 16.5 24 28 A S H 3> S+ 0 0 58 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.775 91.6 60.8 -65.4 -25.6 6.5 -6.5 19.8 25 29 A D H <> S+ 0 0 2 -3,-1.1 4,-1.4 2,-0.2 -1,-0.3 0.931 110.6 42.1 -62.2 -42.1 9.3 -4.6 18.0 26 30 A F H S+ 0 0 6 -4,-2.5 5,-2.3 1,-0.2 4,-0.7 0.890 111.2 50.0 -59.5 -41.2 5.8 7.6 25.0 35 39 A A H ><5S+ 0 0 78 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.907 106.8 54.9 -63.8 -40.6 8.3 7.2 27.8 36 40 A E H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 117.7 35.1 -59.4 -41.0 10.7 9.8 26.2 37 41 A F H 3<5S- 0 0 27 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.407 107.9-120.1 -95.8 -0.9 7.9 12.4 26.0 38 42 A G T <<5 + 0 0 70 -4,-0.7 2,-0.5 -3,-0.6 -3,-0.2 0.824 59.7 151.4 64.5 32.3 6.1 11.4 29.3 39 43 A V < - 0 0 13 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.842 46.5-118.5 -99.0 125.8 2.9 10.7 27.5 40 44 A A > - 0 0 60 -2,-0.5 3,-1.3 1,-0.1 6,-0.5 -0.382 7.5-133.3 -69.2 141.3 0.7 8.0 29.2 41 45 A A T 3 S+ 0 0 46 1,-0.3 9,-0.2 5,-0.2 -1,-0.1 0.864 108.1 50.3 -55.6 -39.1 -0.0 4.8 27.4 42 46 A R T 3 S+ 0 0 234 4,-0.2 -1,-0.3 5,-0.1 -2,-0.0 0.527 90.8 102.0 -82.5 -7.3 -3.7 5.1 28.4 43 47 A S S <> S- 0 0 39 -3,-1.3 4,-2.8 1,-0.1 5,-0.3 -0.163 89.4-104.5 -70.1 165.8 -4.1 8.7 27.2 44 48 A D H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.948 124.1 45.4 -55.6 -46.7 -5.7 9.6 23.9 45 49 A R H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 112.0 52.2 -68.9 -33.3 -2.3 10.2 22.3 46 50 A G H > S+ 0 0 0 -6,-0.5 4,-2.4 2,-0.2 5,-0.2 0.945 110.6 47.1 -66.1 -46.5 -0.9 7.0 23.8 47 51 A Q H X S+ 0 0 112 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.892 111.0 52.2 -62.2 -37.9 -3.7 4.9 22.4 48 52 A A H X S+ 0 0 53 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.864 108.7 51.0 -68.4 -35.1 -3.4 6.5 19.0 49 53 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.938 111.8 45.4 -67.9 -45.7 0.4 5.7 18.9 50 54 A Y H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 113.3 51.4 -61.5 -43.3 -0.1 2.1 19.8 51 55 A G H X S+ 0 0 42 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.920 112.2 45.5 -59.2 -44.2 -2.9 1.8 17.2 52 56 A G H X S+ 0 0 4 -4,-2.2 4,-2.0 46,-0.3 47,-0.5 0.898 111.5 52.0 -67.1 -37.6 -0.8 3.4 14.5 53 57 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 109.5 49.9 -65.3 -40.1 2.2 1.2 15.4 54 58 A E H X S+ 0 0 73 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.897 109.7 51.3 -64.3 -40.9 0.0 -2.0 15.2 55 59 A A H X S+ 0 0 33 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.877 109.1 50.4 -64.5 -36.8 -1.3 -0.8 11.8 56 60 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.912 108.3 52.9 -67.9 -43.5 2.3 -0.3 10.5 57 61 A W H X S+ 0 0 7 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.933 109.4 48.7 -52.3 -49.7 3.2 -3.8 11.7 58 62 A Q H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.877 109.9 53.0 -61.8 -35.4 0.2 -5.2 9.8 59 63 A G H X S+ 0 0 5 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.913 114.1 41.0 -64.9 -43.1 1.3 -3.3 6.7 60 64 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 3,-0.4 0.930 114.2 51.0 -71.6 -44.9 4.8 -4.7 6.9 61 65 A A H X S+ 0 0 9 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.884 105.8 58.1 -57.1 -39.5 3.7 -8.2 7.7 62 66 A G H < S+ 0 0 55 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.847 115.6 35.5 -59.8 -35.2 1.3 -8.1 4.7 63 67 A I H < S+ 0 0 13 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.881 133.4 21.5 -81.2 -41.8 4.3 -7.4 2.4 64 68 A A H < S+ 0 0 2 -4,-2.8 2,-1.9 1,-0.1 -3,-0.2 0.669 93.4 87.2-111.8 -24.8 7.0 -9.5 4.0 65 69 A D >< + 0 0 20 -4,-2.3 3,-0.9 -5,-0.3 5,-0.1 -0.541 47.1 163.1 -86.1 80.0 5.6 -12.3 6.2 66 70 A R T 3 + 0 0 149 -2,-1.9 -1,-0.2 1,-0.2 6,-0.1 0.689 69.6 48.6 -80.6 -16.7 5.2 -14.9 3.5 67 71 A D T 3 S- 0 0 105 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.368 103.0-128.0-102.2 3.8 4.9 -18.0 5.7 68 72 A G S < S+ 0 0 52 -3,-0.9 -2,-0.1 -7,-0.2 4,-0.1 0.518 70.9 125.2 72.5 9.6 2.3 -16.4 8.0 69 73 A D S S- 0 0 51 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.391 78.0-118.2 -85.4 4.1 4.0 -17.1 11.3 70 74 A Q S S+ 0 0 134 1,-0.2 -47,-0.5 -5,-0.1 2,-0.4 0.803 84.9 102.6 62.7 29.8 3.9 -13.4 12.3 71 75 A R - 0 0 115 -49,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.979 62.0-149.1-130.6 134.6 7.7 -13.1 12.5 72 76 A I E -A 21 0A 0 -51,-2.6 -51,-2.8 -2,-0.4 -7,-0.1 -0.933 18.9-152.7-106.5 110.6 9.5 -11.4 9.6 73 77 A T E > -A 20 0A 54 -2,-0.7 4,-2.3 -53,-0.2 -53,-0.2 -0.337 28.5-109.2 -75.1 160.8 13.0 -13.0 9.2 74 78 A R H > S+ 0 0 114 -55,-1.0 4,-3.0 2,-0.2 5,-0.2 0.928 123.2 52.0 -48.0 -48.1 16.0 -11.3 7.8 75 79 A E H > S+ 0 0 127 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.911 107.9 49.6 -59.7 -46.2 15.6 -13.6 4.8 76 80 A E H >>S+ 0 0 24 1,-0.2 5,-1.7 2,-0.2 4,-1.1 0.866 115.0 45.4 -58.7 -39.7 12.0 -12.7 4.3 77 81 A F H <>S+ 0 0 1 -4,-2.3 5,-2.0 3,-0.2 -2,-0.2 0.941 118.6 40.1 -70.2 -48.3 12.9 -9.0 4.5 78 82 A V H <5S+ 0 0 63 -4,-3.0 5,-0.3 1,-0.2 4,-0.2 0.960 124.3 36.2 -66.7 -54.0 15.9 -9.2 2.1 79 83 A T H <5S+ 0 0 100 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.687 137.0 13.6 -75.9 -21.2 14.5 -11.7 -0.4 80 84 A G T X5S+ 0 0 21 -4,-1.1 4,-1.4 -5,-0.4 3,-0.3 0.768 120.8 47.1-117.7 -62.2 10.9 -10.3 -0.4 81 85 A A H > S+ 0 0 116 -3,-0.3 4,-2.9 -5,-0.3 -1,-0.2 0.939 116.6 50.2 -61.7 -49.0 11.8 -5.1 -3.9 84 88 A R H X S+ 0 0 95 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.898 112.7 47.0 -58.5 -42.0 8.2 -4.7 -2.9 85 89 A L H < S+ 0 0 4 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.922 113.5 48.5 -64.3 -43.6 9.0 -1.6 -0.8 86 90 A R H < S+ 0 0 67 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.866 113.4 48.1 -63.4 -38.2 11.1 -0.1 -3.6 87 91 A D H < S+ 0 0 100 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.868 127.6 22.0 -72.9 -39.1 8.3 -0.8 -6.1 88 92 A K S X S+ 0 0 71 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 -0.415 72.9 146.5-127.7 60.2 5.4 0.7 -4.0 89 93 A P H > S+ 0 0 30 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.857 72.9 51.6 -65.0 -41.1 7.1 3.1 -1.4 90 94 A D H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.880 109.2 50.9 -65.1 -40.9 4.2 5.7 -1.3 91 95 A R H > S+ 0 0 174 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.918 111.9 47.3 -63.3 -42.3 1.6 3.0 -0.6 92 96 A F H >X S+ 0 0 3 -4,-1.8 4,-1.2 1,-0.2 3,-0.6 0.947 109.5 53.4 -63.7 -45.1 3.8 1.6 2.2 93 97 A A H 3X S+ 0 0 2 -4,-2.7 4,-0.5 1,-0.3 3,-0.2 0.849 104.6 56.4 -58.1 -36.1 4.3 5.2 3.6 94 98 A E H >< S+ 0 0 98 -4,-2.0 3,-0.7 1,-0.2 -1,-0.3 0.847 101.6 55.3 -62.1 -35.1 0.5 5.6 3.6 95 99 A M H << S+ 0 0 95 -4,-1.4 4,-0.3 -3,-0.6 -1,-0.2 0.799 111.1 47.5 -66.9 -25.4 0.2 2.4 5.8 96 100 A A H 3X S+ 0 0 0 -4,-1.2 4,-2.9 -3,-0.2 5,-0.2 0.530 85.5 92.7 -86.0 -12.1 2.6 4.3 8.2 97 101 A R H S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 -46,-0.3 0.940 113.6 45.5 -59.1 -41.6 -1.5 6.8 11.2 99 103 A F H > S+ 0 0 19 -47,-0.5 4,-2.4 -4,-0.3 -2,-0.2 0.939 115.2 46.4 -60.7 -49.3 1.7 6.0 13.2 100 104 A L H X S+ 0 0 18 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.904 112.4 50.0 -65.3 -38.2 3.5 9.0 11.9 101 105 A H H X S+ 0 0 114 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.932 113.0 46.8 -62.2 -45.3 0.6 11.3 12.6 102 106 A A H X S+ 0 0 11 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.861 109.2 54.8 -64.5 -35.5 0.3 9.9 16.1 103 107 A A H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.903 105.3 52.6 -66.9 -41.8 4.0 10.3 16.7 104 108 A L H X S+ 0 0 28 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.902 107.8 52.5 -59.2 -39.4 3.8 14.0 15.7 105 109 A G H >< S+ 0 0 26 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.908 110.0 48.2 -62.8 -41.8 1.1 14.4 18.3 106 110 A V H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.3 48.2 -63.4 -39.6 3.2 12.8 21.0 107 111 A A H 3< S+ 0 0 5 -4,-2.2 2,-1.1 -5,-0.1 9,-0.4 0.471 85.8 95.9 -84.4 -4.9 6.2 15.0 20.1 108 112 A D << + 0 0 20 -4,-0.8 3,-0.2 -3,-0.6 7,-0.1 -0.762 52.4 177.4 -85.0 96.5 4.2 18.2 20.1 109 113 A T S S+ 0 0 94 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.692 73.5 40.9 -84.2 -18.8 5.0 19.3 23.7 110 114 A D S S- 0 0 113 4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.480 105.1-119.6-106.9 -4.4 3.1 22.6 23.8 111 115 A G S S+ 0 0 62 3,-0.2 -2,-0.1 -3,-0.2 -3,-0.0 0.583 75.6 123.5 82.9 12.4 -0.0 21.5 21.9 112 116 A D S S- 0 0 96 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.275 84.1-108.0 -90.7 9.8 0.3 23.9 18.9 113 117 A G S S+ 0 0 72 1,-0.2 2,-0.3 -8,-0.1 -8,-0.0 0.544 87.6 102.3 78.8 6.5 0.3 21.2 16.3 114 118 A A - 0 0 32 36,-0.1 2,-0.4 -9,-0.1 -4,-0.3 -0.896 55.7-151.9-124.3 153.8 3.9 21.7 15.5 115 119 A V - 0 0 6 34,-0.4 34,-2.9 -2,-0.3 -7,-0.1 -0.985 17.4-129.9-127.2 132.7 7.1 19.7 16.4 116 120 A T B > -B 148 0B 61 -2,-0.4 4,-2.1 -9,-0.4 32,-0.2 -0.370 22.0-116.7 -74.8 159.0 10.6 21.2 16.8 117 121 A V H > S+ 0 0 37 30,-1.6 4,-2.3 1,-0.2 5,-0.2 0.912 117.4 55.5 -54.5 -43.9 13.7 19.8 15.1 118 122 A A H > S+ 0 0 66 29,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 109.5 45.1 -60.4 -40.2 15.1 19.1 18.7 119 123 A D H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.824 107.9 57.6 -76.8 -28.9 12.0 17.0 19.6 120 124 A T H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.913 105.1 52.0 -60.1 -43.9 12.2 15.2 16.2 121 125 A A H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 106.9 53.1 -58.5 -41.5 15.7 14.1 17.3 122 126 A R H X S+ 0 0 79 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.895 107.5 51.5 -60.3 -42.8 14.4 12.8 20.6 123 127 A A H X S+ 0 0 12 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.944 108.5 50.8 -58.9 -47.9 11.8 10.7 18.7 124 128 A L H <>S+ 0 0 36 -4,-2.3 5,-2.3 1,-0.2 -2,-0.2 0.875 108.8 51.3 -59.3 -39.3 14.6 9.3 16.5 125 129 A T H ><5S+ 0 0 48 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.879 104.3 57.0 -66.9 -35.9 16.6 8.3 19.6 126 130 A A H 3<5S+ 0 0 17 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.857 105.3 53.7 -59.9 -29.7 13.6 6.6 21.1 127 131 A F T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.139 132.2 -92.7 -91.5 16.2 13.6 4.5 17.9 128 132 A G T < 5S+ 0 0 58 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.459 78.2 140.5 94.5 3.3 17.2 3.5 18.4 129 133 A V < - 0 0 39 -5,-2.3 -1,-0.3 -6,-0.1 5,-0.1 -0.660 58.9-110.5 -83.9 125.3 19.1 6.2 16.4 130 134 A P > - 0 0 87 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.249 31.1-111.1 -54.3 143.8 22.3 7.4 18.2 131 135 A E H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.842 113.6 47.3 -48.6 -47.0 22.0 10.9 19.5 132 136 A D H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 115.5 45.2 -65.2 -45.5 24.5 12.6 17.1 133 137 A L H > S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 109.5 56.6 -63.5 -38.5 23.0 10.9 14.1 134 138 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.857 104.9 51.5 -63.7 -36.9 19.5 11.7 15.3 135 139 A R H X S+ 0 0 120 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.921 111.7 47.8 -62.8 -44.1 20.4 15.4 15.4 136 140 A Q H X S+ 0 0 113 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.930 114.8 44.4 -61.8 -46.7 21.7 15.2 11.8 137 141 A A H X S+ 0 0 43 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.905 111.3 53.3 -68.5 -42.1 18.6 13.4 10.5 138 142 A A H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.929 108.9 50.0 -56.4 -46.5 16.2 15.6 12.4 139 143 A A H >< S+ 0 0 57 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.878 108.0 53.3 -57.4 -42.7 17.8 18.7 10.8 140 144 A A H 3< S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.736 99.9 62.7 -68.0 -26.2 17.6 17.1 7.3 141 145 A L H 3< S+ 0 0 31 -4,-1.4 2,-1.8 -3,-0.5 -1,-0.3 0.708 83.2 81.3 -69.9 -22.5 13.9 16.5 7.8 142 146 A D X< + 0 0 24 -3,-1.1 3,-0.8 -4,-0.6 -1,-0.2 -0.585 57.9 167.1 -83.7 76.1 13.3 20.3 8.1 143 147 A T T 3 S+ 0 0 99 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.668 72.6 44.3 -73.8 -15.1 13.3 20.8 4.3 144 148 A D T 3 S- 0 0 103 4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.431 103.6-128.5-107.9 -2.2 11.8 24.4 4.5 145 149 A G < + 0 0 59 -3,-0.8 -2,-0.1 -6,-0.2 4,-0.1 0.664 68.4 126.9 73.3 18.7 14.1 25.5 7.3 146 150 A D S S- 0 0 80 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.365 80.7-111.0 -90.7 3.5 11.4 27.0 9.6 147 151 A G S S+ 0 0 35 1,-0.3 -30,-1.6 -5,-0.1 2,-0.4 0.437 87.4 102.1 87.3 -0.5 12.6 24.9 12.6 148 152 A K B -B 116 0B 113 -32,-0.2 2,-0.5 -31,-0.1 -2,-0.3 -0.902 59.7-148.8-118.2 145.5 9.5 22.7 12.6 149 153 A V - 0 0 2 -34,-2.9 -34,-0.4 -2,-0.4 2,-0.2 -0.960 26.1-178.3-117.2 118.8 9.1 19.2 11.3 150 154 A G >> - 0 0 25 -2,-0.5 4,-2.6 -9,-0.2 3,-1.3 -0.570 42.7 -95.9-116.5 179.6 5.7 18.3 9.9 151 155 A E H 3> S+ 0 0 49 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.853 120.2 57.9 -62.4 -36.1 3.7 15.5 8.4 152 156 A T H 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.676 112.5 43.3 -71.1 -15.0 4.3 16.7 4.8 153 157 A E H <> S+ 0 0 15 -3,-1.3 4,-1.4 2,-0.1 -2,-0.2 0.867 117.0 42.5 -90.2 -46.8 8.1 16.4 5.6 154 158 A I H X S+ 0 0 24 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.834 105.8 58.9 -75.5 -33.0 8.1 13.1 7.4 155 159 A V H X S+ 0 0 5 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.975 111.7 39.2 -66.3 -49.7 5.8 11.0 5.3 156 160 A P H > S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.868 115.0 54.9 -65.8 -30.8 7.8 11.3 2.0 157 161 A A H X S+ 0 0 18 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.903 108.7 48.4 -63.7 -38.4 11.1 11.0 4.0 158 162 A F H X S+ 0 0 30 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.949 111.1 50.3 -64.6 -46.5 9.8 7.7 5.4 159 163 A A H < S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.890 114.3 45.0 -56.4 -44.7 8.8 6.6 1.9 160 164 A R H >< S+ 0 0 150 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.908 108.7 54.6 -67.7 -46.0 12.3 7.5 0.6 161 165 A Y H 3< S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.892 108.8 49.1 -58.6 -38.6 14.2 5.9 3.5 162 166 A F T 3< S+ 0 0 9 -4,-2.1 2,-0.9 -5,-0.2 -1,-0.3 0.329 90.6 89.0 -87.9 9.9 12.4 2.5 2.9 163 167 A T S < S- 0 0 39 -3,-1.6 -1,-0.1 -5,-0.1 -80,-0.1 -0.856 72.4-157.5 -98.7 91.6 13.2 2.8 -0.8 164 168 A V - 0 0 3 -2,-0.9 -2,-0.1 -82,-0.3 -78,-0.1 -0.618 17.8-131.5 -74.8 112.9 16.6 1.0 -0.7 165 169 A P 0 0 63 0, 0.0 -160,-0.1 0, 0.0 -1,-0.0 -0.389 360.0 360.0 -70.9 146.7 18.3 2.3 -3.9 166 170 A A 0 0 109 -2,-0.0 -164,-0.1 0, 0.0 -2,-0.1 0.469 360.0 360.0 -70.7 360.0 20.0 -0.2 -6.2